(2Z)-2-[1-(2-ethylphenyl)-3-(1-methylindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one

C23H21N5OS — CID 171357314

IUPAC(2Z)-2-[1-(2-ethylphenyl)-3-(1-methylindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one
SMILESCCc1ccccc1-n1nc(-c2cn(C)c3ccccc23)cc1/N=C1/NC(=O)CS1
InChIInChI=1S/C23H21N5OS/c1-3-15-8-4-6-10-19(15)28-21(24-23-25-22(29)14-30-23)12-18(26-28)17-13-27(2)20-11-7-5-9-16(17)20/h4-13H,3,14H2,1-2H3,(H,24,25,29)
InChIKeyJWMLMHKZKANXKL-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.44
Rot. Bonds4

About (2Z)-2-[1-(2-ethylphenyl)-3-(1-methylindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one

(2Z)-2-[1-(2-ethylphenyl)-3-(1-methylindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one (PubChem CID 171357314) has the molecular formula C23H21N5OS and a molecular weight of 415.52 g/mol. Its IUPAC name is (2Z)-2-[1-(2-ethylphenyl)-3-(1-methylindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[1-(2-ethylphenyl)-3-(1-methylindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one
PubChem CID171357314
Molecular FormulaC23H21N5OS
Molecular Weight415.52 g/mol
Exact Mass415.15
IUPAC Name(2Z)-2-[1-(2-ethylphenyl)-3-(1-methylindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one
SMILESCCc1ccccc1-n1nc(-c2cn(C)c3ccccc23)cc1/N=C1/NC(=O)CS1
InChIInChI=1S/C23H21N5OS/c1-3-15-8-4-6-10-19(15)28-21(24-23-25-22(29)14-30-23)12-18(26-28)17-13-27(2)20-11-7-5-9-16(17)20/h4-13H,3,14H2,1-2H3,(H,24,25,29)
InChIKeyJWMLMHKZKANXKL-UHFFFAOYSA-N
XLogP4.44
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2Z)-2-[1-(2-ethylphenyl)-3-(1-methylindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[1-(2-ethylphenyl)-3-(1-methylindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[1-(2-ethylphenyl)-3-(1-methylindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one (CID 171357314) is (2Z)-2-[1-(2-ethylphenyl)-3-(1-methylindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[1-(2-ethylphenyl)-3-(1-methylindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[1-(2-ethylphenyl)-3-(1-methylindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one is CCc1ccccc1-n1nc(-c2cn(C)c3ccccc23)cc1/N=C1/NC(=O)CS1.
What is the InChIKey of (2Z)-2-[1-(2-ethylphenyl)-3-(1-methylindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
The InChIKey is JWMLMHKZKANXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5OS/c1-3-15-8-4-6-10-19(15)28-21(24-23-25-22(29)14-30-23)12-18(26-28)17-13-27(2)20-11-7-5-9-16(17)20/h4-13H,3,14H2,1-2H3,(H,24,25,29).
What are the key properties of (2Z)-2-[1-(2-ethylphenyl)-3-(1-methylindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one?
(2Z)-2-[1-(2-ethylphenyl)-3-(1-methylindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one has a molecular weight of 415.52 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[1-(2-ethylphenyl)-3-(1-methylindol-3-yl)pyrazol-5-yl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 171357314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).